2-cyclopentyl-1-[4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]carbonylpiperazin-1-yl]ethanone

Systemtic Name: 2-cyclopentyl-1-[4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]carbonylpiperazin-1-yl]ethanone Openeye Name: 2-cyclopentyl-1-[4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carbonyl]piperazin-1-yl]ethanone CAS Name: 2-cyclopentyl-1-[4-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 2-cyclopentyl-1-[4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carbonyl]piperazin-1-yl]ethanone Traditional Name: 2-cyclopentyl-1-[4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carbonyl]piperazino]ethanone Formula: C25H32N4O4 MolecularWeight: 452.54598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)N4CCN(CC4)C(=O)CC5CCCC5

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)N4CCN(CC4)C(=O)CC5CCCC5

InChI

InChI=1S/C25H32N4O4/c1-27-17-20(24(26-27)19-7-8-21-22(16-19)33-14-4-13-32-21)25(31)29-11-9-28(10-12-29)23(30)15-18-5-2-3-6-18/h7-8,16-18H,2-6,9-15H2,1H3